N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine

C15H19BrFN3 — CID 66403458

IUPACN-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nccn1Cc1ccc(F)cc1Br
InChIInChI=1S/C15H19BrFN3/c1-11(2)8-18-9-15-19-5-6-20(15)10-12-3-4-13(17)7-14(12)16/h3-7,11,18H,8-10H2,1-2H3
InChIKeyLNESLPQZSIPALQ-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.58
Rot. Bonds6

About N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66403458) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID66403458
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC NameN-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nccn1Cc1ccc(F)cc1Br
InChIInChI=1S/C15H19BrFN3/c1-11(2)8-18-9-15-19-5-6-20(15)10-12-3-4-13(17)7-14(12)16/h3-7,11,18H,8-10H2,1-2H3
InChIKeyLNESLPQZSIPALQ-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-3-[[2-[(2-methylpropylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66402493
N-[[1-[(2-bromo-4-fluorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 66403991
N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107307271
N-[[1-[(5-ethylthiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402303
N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66401918
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62221262
2-methyl-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66401706
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66402097
N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66401707
1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol
CID 66402680
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536
N-[[2-[(4-fluoro-2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 114349033

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine (CID 66403458) is N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nccn1Cc1ccc(F)cc1Br.
What is the InChIKey of N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is LNESLPQZSIPALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c1-11(2)8-18-9-15-19-5-6-20(15)10-12-3-4-13(17)7-14(12)16/h3-7,11,18H,8-10H2,1-2H3.
What are the key properties of N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 340.24 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66403458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).